SCHEMBL588407

SCHEMBL588407

O=CNc1ncc(Cl)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTK2 Q05397 1/20 0.31
EDNRA P25101 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20909 0.72
SCHEMBL19105519 0.71 NPC1 (0.35) NPC1RAB9A
SCHEMBL183711 0.71 L3MBTL1 (0.55) L3MBTL1ALDH1A1MEN1NPC1RAB9A
SCHEMBL1007994 0.70
SCHEMBL29623551 0.70 PIK3CA (0.33) MEN1KMT2A
SCHEMBL10144271 0.67 PIK3CA (0.33) MAPK1ALDH1A1MEN1NPC1RAB9A
SCHEMBL21777902 0.67 DHODH (0.37) MEN1KMT2A
SCHEMBL13485374 0.67
SCHEMBL15264492 0.67
SCHEMBL15360097 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975149-B1 1,3-BIS(SUBSTITUTED PHENYL)-3-HYDROXYPROPAN-1-ONE OR 2-PROPEN-1-ONE COMPOUND, AND SALT THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-02-15 EP disclosed
US-7700808-B2 1-3-bis(substituted phenyl)-3-hydroxypropan-1-one or 2-propen-1-one compound, and salt thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-20 US disclosed
US-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-01-22 US disclosed
EP-1975149-A1 1,3-BIS(SUBSTITUTED PHENYL)-3-HYDROXYPROPAN-1-ONE OR 2-PROPEN-1-ONE COMPOUND, AND SALT THEREOF Nissan Chemical Industries, Ltd. (JP) 2008-10-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof HCN1, CNPY2, CLIC1 MAPK1 159/4885L3MBTL1 187/4885NFE2L2 2071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.